Vitas-M small molecule compound
3-phenylpropyl 5-[({2-[(4-nitrophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]-5-oxopentanoate
Catalog ID
STL065294
SMILES O=C(NC(=S)NNC(=O)c1ccc(cc1)[N+](=O)[O-])CCCC(=O)OCCCc1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H24N4O6S MW 472.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O6S/c27-19(9-4-10-20(28)32-15-5-8-16-6-2-1-3-7-16)23-22(33)25-24-21(29)17-11-13-18(14-12-17)26(30)31/h1-3,6-7,11-14H,4-5,8-10,15H2,(H,24,29)(H2,23,25,27,33)InChIKey
FJIJDZPCNCMMIB-UHFFFAOYSA-NSynonyms
3phenylpropyl5(((2((4nitrophenyl)carbonyl)hydrazinyl)carbonothioyl)amino)5oxopentanoate
3PHENYLPROPYL5(((4NITROBENZOYL)AMINO)CARBAMOTHIOYLAMINO)5OXOPENTANOATE
C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC22H24N4O6Sc2719(941020(28)321558166213716)2322(33)252421(29)17111318(141217)26(30)31h13671114H4581015H2(H2429)(H223252733)
MFCD07083791
O=C(NC(=S)NNC(=O)c1ccc(cc1)(N+)(=O)(O))CCCC(=O)OCCCc1ccccc1
ZINC000012137613
ZINC12137613
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